0 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.9 CCC(=O)NC=C(Cl)Cl Z57906704 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,0,0,0,0,0|1,0,1]=2 9 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,0,0,0,0,0|1,0,3]=4 10 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.3 CC/C=C/C(=O)NC Z404206580 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.4 COCCCC(=O)O Z316258912 [1,0,0,0,0,0|0,0,3]=4 16 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.6 NC(=O)NCC(=O)O Z57009586 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [1,0,0,0,0,0|0,0,0]=1 21 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,0,0,0,0|0,0,2]=3 22 B9R0.7 CC(C)C(=O)NCC(=O)O Z85886685 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.7 CC(S)C(=O)NCC(=O)O Z2681891170 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.7 CN(C)C(=O)CCC(=O)O Z270759422 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.23 COC(=O)C(=O)CC(=O)C Z111869226 [0,1,0,0,0,0|1,0,1]=3 26 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [0,1,0,0,0,0|1,0,2]=4 27 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [0,1,0,0,0,0|0,0,2]=3 28 B9R0.23 COC(=O)N(C)CC(=O)O Z319610256 [0,1,0,0,0,0|1,0,1]=3 29 B9R0.24 COC(=O)/C=C/C(=O)OC Z49500377 [0,1,0,0,0,0|0,0,0]=1 30 B9R0.24 COC(=O)C#CC(=O)OC Z104473200 [0,1,0,0,0,0|0,0,2]=3 31 B9R0.24 COC(=O)CCC(=O)CN Z3015912776 [0,1,0,0,0,0|1,0,2]=4 32 B9R0.24 COC(=O)CNC(=O)CCl Z56867315 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [0,1,0,0,0,0|0,0,1]=2 34 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,1,0,0,0,0|1,0,2]=4 35 B9R0.42 CCC(=O)NC(C)C(=O)O Z239130514 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.42 CNC(=O)NC(C)C(=O)O Z223131756 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.42 COC(=O)/C=C(\N)/C(=O)N Z87002018 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,1,0,0,0,0|0,0,2]=3 39 B9R0.48 CCCC(=O)NCC(=O)O Z285193236 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [0,1,0,0,0,0|1,0,2]=4 41 B9R0.48 CCOC(=O)/C=C/C(=O)O Z2315575179 [0,1,0,0,0,0|0,0,0]=1 42 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,1,0,0,0,0|0,0,2]=3 43 B9R0.48 CCOC(=O)CNC(=O)C Z54529208 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.48 CCOC(=O)NCC(=O)O Z64434253 [0,1,0,0,0,0|1,0,1]=3 45 B9R0.48 NCCC(=O)NCC(=O)O Z1901071297 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.1 CNC1=CC=C(C=C1)O Z940713298 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.1 COC1=CC=C(C=C1)C Z53834227 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.1 COC1=CC=C(C=C1)F Z53834743 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.1 COC1=CC=C(C=C1)N Z56938150 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.1 COC1=CN=C(C=C1)C Z1198232754 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.1 COC1=NC=C(C=C1)Br Z808608370 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.1 COC1=NC=C(C=C1)Cl Z1094698482 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.1 COC1=NC=C(C=C1)N Z56899049 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.1 COC1=NC=C(C=C1)O Z1201623942 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.1 COC1=NN=C(C=C1)N Z1201621262 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.1 COC1=NNC(=O)C=C1 Z1255391084 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.1 CSC1=NNC(=O)C=C1 Z3300726140 [0,0,0,1,0,0|2,1,0]=4 60 B9R1.35 CC(=O)C1=NOC(=C1)C Z1255384089 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.35 CC1=CC(=CN1)C(=O)O Z1198267230 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.35 CC1=CC(=CO1)C(=O)O Z1205493994 [0,0,0,1,0,0|1,0,1]=3 63 B9R1.35 CC1=CC(=CS1)C(=O)O Z979749380 [0,0,0,1,0,0|1,1,1]=4 64 B9R1.35 CC1=CC(=NN1)C(=O)O Z752370868 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.35 CC1=CNC(=C1)C(=O)O Z1201622537 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.35 CC1=COC(=C1)C(=O)O Z1205494707 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.35 CC1=CSC(=C1)C(=O)O Z1203160201 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.35 CC1=NOC(=C1)C(=O)O Z90660974 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.35 CC1=NSC(=C1)C(=O)O Z1198313658 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.35 NC(=O)C1=COC(=C1)Br Z337983072 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.35 NC1=NNC(=C1)C(=O)O Z275170588 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.35 O=C(O)C1=CC(=CN1)Cl Z104341138 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.35 O=C(O)C1=CC(=CN1)I Z1183442837 [0,0,0,1,0,0|3,0,0]=4 75 B9R1.35 O=C(O)C1=CC(=CO1)Br Z1198150497 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.35 O=C(O)C1=CC(=CS1)Br Z275128148 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.35 O=C(O)C1=CC(=CS1)F Z1198275133 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.35 O=C(O)C1=CC(=CS1)O Z1157742699 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.35 O=C(O)C1=CC(=NO1)O Z1198180707 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.35 O=C(O)C1=CNC(=C1)Br Z1171220840 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.35 O=C(O)C1=COC(=C1)Br Z255102436 [0,0,0,1,0,0|1,0,1]=3 82 B9R1.35 O=C(O)C1=COC(=C1)Cl Z1255365854 [0,0,0,1,0,0|1,0,1]=3 83 B9R1.35 O=C(O)C1=COC(=N1)Cl Z1198305489 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.35 O=C(O)C1=CSC(=C1)Br Z234969399 [0,0,0,1,0,0|1,1,1]=4 85 B9R1.35 O=C(O)C1=CSC(=C1)Cl Z1198150257 [0,0,0,1,0,0|1,1,1]=4 86 B9R1.35 O=C(O)C1=CSC(=C1)I Z952016278 [0,0,0,1,0,0|1,1,1]=4 87 B9R1.35 O=C(O)C1=NNC(=C1)Br Z1416184726 [0,0,0,1,0,0|3,0,0]=4 88 B9R1.35 O=C1CC(=NN1)C(=O)O Z815290366 [0,0,0,1,0,0|2,0,1]=4 89 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,0,0,1,0,0|1,0,2]=4 90 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,1,0,0|0,0,2]=3 91 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,0,0,1,0,0|0,1,2]=4 92 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,0,0|1,0,2]=4 93 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,0,0,1,0,0|2,0,1]=4 96 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,0,0,1,0,0|2,0,1]=4 98 B9R1.35 O=C1NC(=CS1)C(=O)O Z1205494720 [0,0,0,1,0,0|1,1,1]=4 99 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,0,0,1,0,0|1,0,1]=3 100 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,0,0,1,0,0|1,1,1]=4 101 B9R1.35 O=C1NC=C(N1)C(=O)O Z56921827 [0,0,0,1,0,0|2,0,1]=4 102 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,0,0,1,0,0|2,0,1]=4 103 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,0,0,1,0,0|1,1,1]=4 105 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,0,0,1,0,0|1,0,1]=3 106 B9R1.69 CC1=C(C=C(C=C1)O)C Z104477218 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.69 CC1=C(C=CC(=C1)O)Br Z401597308 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.69 CC1=C(C=CC(=C1)O)Cl Z104477910 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.69 CC1=C(C=CC(=C1)O)F Z1021305330 [0,0,0,1,0,0|3,0,0]=4 110 B9R1.69 CC1=C(C=CC(=C1)O)I Z1269160508 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.69 CC1=C(C=CC(=O)N1)Br Z1251353594 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.69 CC1=CC(=O)C=CC1=O Z57248271 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.69 CN1C=C(C=CC1=O)Br Z360013150 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.69 CN1C=C(C=CC1=O)N Z594413772 [0,0,0,1,0,0|3,0,0]=4 115 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Z1198222336 [0,0,0,1,0,0|1,0,2]=4 116 B9R1.84 O=C(O)/C=C/C1CCC1 Z1868431084 [0,0,0,1,0,0|2,0,1]=4 117 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,0,0,0,1,0|2,0,0]=3 118 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,0,0,0,1,0|2,0,1]=4 119 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,0,0,0,1,0|1,0,1]=3 120 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,0,0,0,1,0|3,0,0]=4 121 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,0,0,0,1,0|2,0,0]=3 122 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,0,0,1,0|1,0,2]=4 123 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [0,0,0,0,0,1|1,0,2]=4 124 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [0,0,0,0,0,1|0,0,2]=3 125 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [0,0,0,0,0,1|0,0,2]=3 126 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [0,0,0,0,0,1|0,0,2]=3 127 B6R0.4 CC/C=C/C(=O)O Z2311573931 [2,0,0,0,0,0|0,0,1]=3 128 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|0,0,2]=4 129 B6R0.4 CS/C=C/C(=O)O Z1868430572 [2,0,0,0,0,0|0,1,0]=3 130 B6R0.4 O=C(O)/C=C/CO Z3178016098 [2,0,0,0,0,0|0,0,1]=3 131 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [1,1,0,0,0,0|0,0,1]=3 133 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [1,1,0,0,0,0|0,0,0]=2 134 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [1,1,0,0,0,0|0,0,1]=3 135 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [1,1,0,0,0,0|0,0,2]=4 140 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [1,1,0,0,0,0|0,0,2]=4 141 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [1,1,0,0,0,0|0,0,2]=4 142 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [1,1,0,0,0,0|0,0,0]=2 143 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [1,1,0,0,0,0|0,0,1]=3 144 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [1,1,0,0,0,0|0,0,2]=4 145 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [1,1,0,0,0,0|0,0,2]=4 146 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [1,1,0,0,0,0|0,0,2]=4 147 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [1,1,0,0,0,0|0,0,2]=4 148 B8R0.29 CS(=O)(=O)/C=C/C(=O)O Z1868430518 [1,1,0,0,0,0|1,0,0]=3 149 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,1,0,0,1,0|2,0,0]=4 150 B8R0.2 COC(=O)C(C)C(=O)C Z839827758 [0,1,0,0,1,0|1,0,1]=4 151 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,1,0,0,1,0|2,0,0]=4 152 B10R0.3 CCOC(=O)CNCC(=O)O Z4643529485 [0,1,0,0,0,1|0,0,2]=4 153 B10R0.3 CCOC(=O)NCCC(=O)O Z64466763 [0,1,0,0,0,1|0,0,2]=4 154 B10R0.3 COCC(=O)NCCC(=O)O Z85914467 [0,1,0,0,0,1|0,0,2]=4 155 B10R0.59 COC(=O)CNCC(=O)OC Z1245635736 [0,1,0,0,0,1|0,0,2]=4 156 B10R0.82 C=C(CCC(=O)OC)C(=O)O Z1262513566 [0,1,0,0,0,1|0,0,1]=3 157 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,1|0,0,2]=4 158 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,1|0,0,2]=4 159 B10R0.32 C=C(CC(=O)O)C(=O)OCC Z1262519977 [0,2,0,0,0,0|0,0,1]=3 160 B10R0.32 CCOC(=O)N(C)CC(=O)O Z64442393 [0,2,0,0,0,0|1,0,1]=4 161 B10R0.32 COCC(=O)N(C)CC(=O)O Z85895324 [0,2,0,0,0,0|1,0,1]=4 162 B10R0.46 COC(=O)/C=C(\I)/C(=O)OC Z57107759 [0,2,0,0,0,0|0,0,0]=2 163 B10R0.141 COC(=O)C(C)(C)CC(=O)O Z1198342215 [0,2,0,0,0,0|0,0,2]=4 164 B10R0.108 CCOC(=O)CNC(=O)OC Z594037488 [0,2,0,0,0,0|1,0,1]=4 165 B10R0.26 COCC(=O)NC(C)C(=O)O Z85890361 [0,2,0,0,0,0|1,0,1]=4 166 B10R0.47 COC(=O)CC(C)(C)C(=O)O Z1255393158 [0,2,0,0,0,0|0,0,2]=4 167 B10R0.47 COC(=O)NC(C)(C)C(=O)O Z801822452 [0,2,0,0,0,0|1,0,1]=4 168 B8R1.1 CC1=CC(=NO1)C=O Z1162446008 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [1,0,0,1,0,0|0,0,1]=3 170 B8R1.2 COC1=CC=CC=C1 Z53833865 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.3 O=C1C=CC(=O)C=C1 Z104474802 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.3 O=C1C=CC(=O)NN1 Z57032544 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [1,0,0,1,0,0|1,0,1]=4 174 B8R1.50 CN1C(=O)C=CC1=O Z203053858 [1,0,0,1,0,0|1,0,0]=3 175 B8R1.4 CC1=CC(=CC=C1)O Z104473820 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [1,0,0,1,0,0|1,0,1]=4 178 B8R1.7 CC(=O)C1=COC=C1 Z1137167495 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.7 NC(=O)C1=COC=C1 Z168362720 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.7 NC(=O)C1=NOC=C1 Z875021158 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.7 O=C(O)C1=CC=CO1 Z104473462 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.7 O=C(O)C1=CC=NO1 Z56943419 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.7 O=C(O)C1=CC=NS1 Z1079264356 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.7 O=C(O)C1=CNC=C1 Z1154253207 [1,0,0,1,0,0|1,0,1]=4 187 B8R1.7 O=C(O)C1=COC=C1 Z164706016 [1,0,0,1,0,0|0,0,1]=3 188 B8R1.7 O=C(O)C1=COC=N1 Z1095349994 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.7 O=C(O)C1=CSC=C1 Z147647094 [1,0,0,1,0,0|0,1,1]=4 191 B8R1.7 O=C(O)C1=NNC=C1 Z381357668 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.7 O=C(O)C1=NOC=C1 Z147642256 [1,0,0,1,0,0|1,0,0]=3 193 B8R1.7 O=C(O)C1=NON=C1 Z1201620383 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.7 O=C(O)C1=NSC=C1 Z1198233153 [1,0,0,1,0,0|1,1,0]=4 195 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [1,0,0,1,0,0|0,0,2]=4 197 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,0,0,1,1,0|2,0,0]=4 198 B10R1.13 O=C1C=CC(=CO1)C(=O)O Z104472302 [0,0,0,1,0,1|0,0,1]=3 199 B10R1.13 O=C1C=CC(=NN1)C(=O)O Z56878668 [0,0,0,1,0,1|2,0,0]=4 200 B10R1.13 O=C1CCC(=NN1)C(=O)O Z56871458 [0,0,0,1,0,1|2,0,0]=4 201 B10R1.14 CNC(=O)C1=CC=C(O1)Br Z32016557 [0,0,0,1,0,1|2,0,0]=4 202 B10R1.14 COC(=O)C1=CC(=CN1)Br Z99028679 [0,0,0,1,0,1|2,0,0]=4 203 B10R1.14 COC(=O)C1=CC(=CN1)Cl Z209672926 [0,0,0,1,0,1|2,0,0]=4 204 B10R1.14 COC(=O)C1=CC(=CN1)N Z802671458 [0,0,0,1,0,1|2,0,0]=4 205 B10R1.14 COC(=O)C1=CC(=CO1)Br Z1269235333 [0,0,0,1,0,1|2,0,0]=4 206 B10R1.14 COC(=O)C1=CC(=CS1)N Z1198172172 [0,0,0,1,0,1|2,0,0]=4 207 B10R1.14 COC(=O)C1=CC(=NS1)O Z1198234407 [0,0,0,1,0,1|2,0,0]=4 208 B10R1.14 COC(=O)C1=CC(=O)NN1 Z2238508536 [0,0,0,1,0,1|2,0,0]=4 209 B10R1.14 COC(=O)C1=CC=C(N1)Br Z1269211284 [0,0,0,1,0,1|2,0,0]=4 210 B10R1.14 COC(=O)C1=CC=C(N1)C Z1255384708 [0,0,0,1,0,1|2,0,0]=4 211 B10R1.14 COC(=O)C1=CC=C(O1)Br Z18368947 [0,0,0,1,0,1|1,0,0]=3 212 B10R1.14 COC(=O)C1=CC=C(S1)N Z271004852 [0,0,0,1,0,1|1,1,0]=4 213 B10R1.14 COC(=O)C1=CN=C(S1)C Z916860044 [0,0,0,1,0,1|1,1,0]=4 214 B10R1.14 COC(=O)C1=CN=C(S1)N Z166605572 [0,0,0,1,0,1|1,1,0]=4 215 B10R1.14 COC(=O)C1=CN=C(S1)S Z1486021140 [0,0,0,1,0,1|0,2,0]=4 216 B10R1.14 COC(=O)C1=CNC(=N1)C Z969202498 [0,0,0,1,0,1|2,0,0]=4 217 B10R1.14 COC(=O)C1=CNC(=N1)S Z274566852 [0,0,0,1,0,1|1,1,0]=4 218 B10R1.14 COC(=O)C1=COC(=N1)C Z1184916182 [0,0,0,1,0,1|2,0,0]=4 219 B10R1.14 COC(=O)C1=CSC(=C1)I Z1153249243 [0,0,0,1,0,1|2,0,0]=4 220 B10R1.14 COC(=O)C1=CSC(=C1)N Z1079174394 [0,0,0,1,0,1|2,0,0]=4 221 B10R1.14 COC(=O)C1=CSC(=N1)S Z1486030556 [0,0,0,1,0,1|1,1,0]=4 222 B10R1.14 COC(=O)C1=NC=C(N1)C Z3714845485 [0,0,0,1,0,1|2,0,0]=4 223 B10R1.14 COC(=O)C1CNC(=O)O1 Z1203733132 [0,0,0,1,0,1|0,0,2]=4 224 B10R1.31 CCC1=CC=C(N1)C(=O)O Z1416166268 [0,0,0,1,0,1|2,0,0]=4 225 B10R1.31 CCC1=CC=C(O1)C(=O)O Z57564911 [0,0,0,1,0,1|1,0,1]=4 226 B10R1.31 CCC1=CNC(=C1)C(=O)O Z3243445142 [0,0,0,1,0,1|2,0,0]=4 227 B10R1.31 CCC1=NC(=CN1)C(=O)O Z969202144 [0,0,0,1,0,1|2,0,0]=4 228 B10R1.31 CCC1=NC(=CO1)C(=O)O Z969117302 [0,0,0,1,0,1|2,0,0]=4 229 B10R1.31 CCC1=NC(=CS1)C(=O)O Z381402858 [0,0,0,1,0,1|2,0,0]=4 230 B10R1.31 CCC1=NC=C(O1)C(=O)O Z1205496428 [0,0,0,1,0,1|1,0,1]=4 231 B10R1.31 CCC1=NC=C(S1)C(=O)O Z385373332 [0,0,0,1,0,1|1,1,0]=4 232 B10R1.31 CNC1=NC(=CS1)C(=O)O Z756096506 [0,0,0,1,0,1|2,0,0]=4 233 B10R1.31 CNC1=NC=C(O1)C(=O)O Z2732452967 [0,0,0,1,0,1|1,0,1]=4 234 B10R1.31 CNC1=NC=C(S1)C(=O)O Z1413687885 [0,0,0,1,0,1|1,1,0]=4 235 B10R1.31 COC1=CC=C(S1)C(=O)O Z1198160366 [0,0,0,1,0,1|0,1,0]=3 236 B10R1.31 COC1=CSC(=C1)C(=O)O Z335442452 [0,0,0,1,0,1|1,0,0]=3 237 B10R1.31 COC1=NC(=CO1)C(=O)O Z1646049290 [0,0,0,1,0,1|1,0,0]=3 238 B10R1.31 COC1=NSC(=C1)C(=O)O Z2301475282 [0,0,0,1,0,1|2,0,0]=4 239 B10R1.31 CSC1=CC(=CO1)C(=O)O Z2408373903 [0,0,0,1,0,1|1,1,0]=4 240 B10R1.31 CSC1=CC=C(O1)C(=O)O Z963425062 [0,0,0,1,0,1|0,1,1]=4 241 B10R1.31 CSC1=CC=C(S1)C(=O)O Z1201619509 [0,0,0,1,0,1|0,2,0]=4 242 B10R1.31 CSC1=NC=C(S1)C(=O)O Z1416161686 [0,0,0,1,0,1|0,2,0]=4 243 B10R1.54 CC1=CC(=NO1)CC(=O)O Z1194052187 [0,0,0,1,0,1|2,0,0]=4 244 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [0,0,0,1,0,1|0,0,2]=4 245 B10R1.194 CC1=C(C(=CS1)C(=O)O)C Z275191052 [0,0,0,1,0,1|2,0,0]=4 246 B10R1.194 CC1=C(SC=C1C(=O)O)Br Z1450923281 [0,0,0,1,0,1|2,0,0]=4 247 B10R1.194 CC1=CC=C(N1C)C(=O)O Z154210042 [0,0,0,1,0,1|2,0,0]=4 248 B10R1.194 CC1=COC(=C1C)C(=O)O Z1205496460 [0,0,0,1,0,1|2,0,0]=4 249 B10R1.194 CC1=CSC(=C1C)C(=O)O Z1255497776 [0,0,0,1,0,1|2,0,0]=4 250 B10R1.194 CC1=NC=C(N1C)C(=O)O Z2489383855 [0,0,0,1,0,1|2,0,0]=4 251 B10R1.194 CN1C(=CN=C1S)C(=O)O Z2379087647 [0,0,0,1,0,1|1,1,0]=4 252 B10R1.408 COC(=O)C1CC1C(=O)O Z1065630378 [0,0,0,1,0,1|0,0,2]=4 253 B10R1.58 CC1=C(C=C(S1)C(=O)O)Br Z1263738666 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.58 CC1=C(NC(=C1)C(=O)O)C Z1198334173 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.58 CC1=C(OC(=C1)C(=O)O)C Z1201618976 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.58 CC1=C(SC(=C1)C(=O)O)C Z104492212 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.58 CC1=CC(=CN1C)C(=O)O Z1726066205 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.58 CN1C=C(NC1=O)C(=O)O Z1205495049 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.58 CN1N=C(C=C1Br)C(=O)O Z1486002914 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.58 CN1N=C(C=C1Cl)C(=O)O Z1255461425 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.58 CN1NC(=CC1=O)C(=O)O Z2236735605 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.58 CN1OC(=CC1=O)C(=O)O Z1824003143 [0,1,0,1,0,0|1,0,0]=3 263 B10R1.25 CC1=C(C=CC(=C1)O)C=O Z1161074806 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.25 COC1=C(C=C(C=C1)O)F Z415739536 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.25 COC1=C(C=C(C=C1)O)I Z1269222013 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.25 COC1=CNC(=O)NC1=O Z1198162869 [0,1,0,1,0,0|2,0,0]=4 267 B10R1.64 O=C(O)CN1CCOC1=O Z323040332 [0,1,0,1,0,0|1,0,1]=4 268 B10R1.3 COC1=CC=C(C=C1)C=O Z53833125 [0,1,0,1,0,0|2,0,0]=4 269 B10R1.3 COC1=CC=C(C=C1)CO Z54603098 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.3 COC1=CC=C(C=C1)OC Z53833835 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.3 COC1=CN=C(C=C1)C=O Z1198176556 [0,1,0,1,0,0|2,0,0]=4 272 B10R1.3 COC1=NC=C(C=C1)C=O Z1255356725 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.3 COC1=NC=C(C=C1)CO Z800297984 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.3 COC1=NN=C(C=C1)C=O Z1198278266 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.119 CC1=C(C(=O)C=CC1=O)C Z1198157405 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.176 CN1C=C(C=CC1=O)C=O Z1511755966 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.176 COC1=CC(=C(C=C1)C)O Z1255384359 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.176 COC1=CC(=C(C=C1)O)C Z1198310476 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.176 COC1=CC(=C(C=C1)O)N Z57727878 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.176 COC1=NC(=C(C=C1)O)C Z1255447798 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.113 O=C1C=C(C=CN1)C(=O)O Z1416200909 [0,1,0,1,0,0|1,0,1]=4 282 B10R1.113 O=C1C=C(C=NN1)C(=O)O Z1198177386 [0,1,0,1,0,0|1,0,1]=4 283 B10R1.113 O=C1C=C(N=CN1)C(=O)O Z2689031648 [0,1,0,1,0,0|1,0,1]=4 284 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,1,0,1,0,0|1,0,1]=4 285 B10R1.66 O=C(O)/C=C/C1=CC=CO1 Z2311574202 [0,1,0,1,0,0|1,0,1]=4 286 B10R1.66 O=C(O)/C=C/C1=CCCC1 Z1198161448 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.66 O=C(O)/C=C/C1=COC=N1 Z2633786305 [0,1,0,1,0,0|1,0,1]=4 288 B10R1.66 O=C(O)/C=C/C1=NC=CO1 Z2648955764 [0,1,0,1,0,0|1,0,1]=4 289 B10R1.30 COC1=C(C=CC(=C1)O)Br Z1258567775 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.30 COC1=C(C=CC(=C1)O)N Z2574932955 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.59 CC1=C(C=C(S1)Br)C(=O)O Z1267558920 [0,1,0,1,0,0|1,1,0]=4 292 B10R1.59 CC1=CC(=C(N1)C)C(=O)O Z239549280 [0,1,0,1,0,0|2,0,0]=4 293 B10R1.59 CC1=CC(=C(O1)C)C(=O)O Z56867309 [0,1,0,1,0,0|1,0,0]=3 294 B10R1.59 CC1=CC(=C(S1)C)C(=O)O Z90121763 [0,1,0,1,0,0|1,1,0]=4 295 B10R1.59 CC1=NC(=C(O1)C)C(=O)O Z969117654 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.59 CC1=NN(C(=C1)C(=O)O)C Z639623346 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.59 CC1OC(=O)NC1C(=O)O Z1203735062 [0,1,0,1,0,0|1,0,1]=4 298 B10R1.59 CN1C=C(C=C1C(=O)O)Br Z164677890 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.59 CN1C=C(C=C1C(=O)O)Cl Z166651272 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.59 CN1C=C(C=C1C(=O)O)N Z3244827169 [0,1,0,1,0,0|2,0,0]=4 301 B10R1.59 CN1N=C(C=C1C(=O)O)Br Z1480640346 [0,1,0,1,0,0|2,0,0]=4 302 B10R1.59 CN1N=C(C=C1C(=O)O)N Z1198171405 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.59 CN1N=C(C=C1C(=O)O)O Z1205496528 [0,1,0,1,0,0|1,0,1]=4 304 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,0,0,0,1,0|1,0,0]=3 305 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,0,0,0,1,0|1,0,1]=4 306 B6R0.2 CC(=CC(=O)N)C Z33546934 [1,0,0,0,1,0|2,0,0]=4 307 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,0,0,0,1,0|1,0,0]=3 308 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [1,0,0,0,1,0|2,0,0]=4 309 B6R0.2 CC(=O)NC(=O)N Z104476284 [1,0,0,0,1,0|2,0,0]=4 310 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,0,0,0,1,0|1,0,1]=4 311 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [1,0,0,0,1,0|2,0,0]=4 312 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [1,0,0,0,1,0|2,0,0]=4 313 B6R0.2 O=C(O)CC(=O)O Z57965450 [1,0,0,0,1,0|0,0,1]=3 314 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,0,0,0,2,0|2,0,0]=4 315 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,2,0|1,0,1]=4 316 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,0,0,0,2,0|2,0,0]=4 317 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,0,0,0,2,0|2,0,0]=4 318 B10R0.55 COC(=O)CCCCC(=O)O Z1255485264 [0,0,0,0,0,2|0,0,2]=4 319 B10R0.55 COC(=O)CSCCC(=O)O Z54688741 [0,0,0,0,0,2|0,0,2]=4 320 B10R0.55 COC(=O)NCCCC(=O)O Z319610262 [0,0,0,0,0,2|0,0,2]=4